6AFL
DJ-1 with compound 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 75.170, 75.170, 75.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.300 - 1.600 |
R-factor | 0.12377 |
Rwork | 0.122 |
R-free | 0.17429 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1soa |
RMSD bond length | 0.016 |
RMSD bond angle | 1.620 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.095 | 0.739 |
Number of reflections | 32706 | |
<I/σ(I)> | 12.9 | 2.4 |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 7.2 | 7.1 |
CC(1/2) | 0.998 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT |